N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C17H15N3O3 — CID 8712515

IUPACN-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O3/c1-9-3-4-10(2)13(7-9)19-15(21)11-5-6-12-14(8-11)20-17(23)16(22)18-12/h3-8H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyYBQVIYHZGRGXEH-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.09
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 8712515) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID8712515
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O3/c1-9-3-4-10(2)13(7-9)19-15(21)11-5-6-12-14(8-11)20-17(23)16(22)18-12/h3-8H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyYBQVIYHZGRGXEH-UHFFFAOYSA-N
XLogP2.09
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497845
N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 8712515) is N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is YBQVIYHZGRGXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-9-3-4-10(2)13(7-9)19-15(21)11-5-6-12-14(8-11)20-17(23)16(22)18-12/h3-8H,1-2H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 8712515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).